SCHEMBL10499313

SCHEMBL10499313

COc1ccc(C(Cl)OC(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
MAPT P10636 4/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
PAX8 Q06710 1/20 0.52
UTS2R Q9UKP6 1/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 3/20 0.48
ACP3 P15309 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TSHR P16473 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28388652 0.94 MAPT (0.65) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL5421978 0.85 TSHR (0.57) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL2297964 0.82 ESR1 (0.60) RAB9AMAPTMEN1KMT2ANPSR1
SCHEMBL11753600 0.78 L3MBTL1 (0.56) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL28279141 0.76 CA1 (0.62) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL2037987 0.76 ESR1 (0.70) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL14580076 0.75 MAPT (0.57) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL14612371 0.75 LMNA (0.55) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL11478296 0.75 CA1 (0.60) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL29223023 0.75 PDCD1 (0.60) NPC1RAB9AMAPTPOLBMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed